REMARK  Name = BDB042575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.855  -0.387  -2.532  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.344  -1.264  -1.394  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.010  -1.155  -1.080  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.551  -2.069  -0.079  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        2.635  -1.403   0.771  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        3.625  -0.637  -0.069  0.00  0.00    -0.023 C 
ATOM      7  C   LIG    1        3.296  -0.287  -1.329  0.00  0.00    -0.003 C 
ATOM      8  C   LIG    1        1.981  -0.555  -1.992  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1       -1.093  -2.035  -0.794  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        4.949  -0.296   0.503  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1        5.924   0.019  -0.388  0.00  0.00    -0.254 NA
ATOM     12  C   LIG    1        7.154   0.329   0.092  0.00  0.00    +0.130 A 
ATOM     13  C   LIG    1        7.475   0.342   1.438  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        6.471   0.020   2.346  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        5.195  -0.303   1.875  0.00  0.00    +0.029 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.793   0.678   1.870  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1        9.865   0.949   2.221  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.373  -0.466  -2.716  0.00  0.00    +0.062 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -5.138  -1.388   1.737  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -5.142   0.090   1.447  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -4.486   0.638   0.321  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1       -4.523   2.032   0.111  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1       -3.830   2.604  -1.070  0.00  0.00    +0.259 A 
ATOM     24  N   LIG    1       -3.179   1.709  -1.891  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1       -2.724   2.129  -2.693  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -3.130   0.351  -1.696  0.00  0.00    +0.020 A 
ATOM     27  O   LIG    1       -3.816   3.801  -1.329  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -5.202   2.860   1.003  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -5.256   4.188   0.832  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -5.850   2.322   2.109  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -3.759  -0.199  -0.645  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -5.821   0.946   2.331  0.00  0.00    +0.007 A 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 5